1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one

C17H15F3O2 — CID 146009331

IUPAC1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)CCc1ccccc1
InChIInChI=1S/C17H15F3O2/c1-22-16-10-8-13(17(18,19)20)11-14(16)15(21)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyXHZKCTLMPYAARS-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.53
Rot. Bonds5

About 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one

1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one (PubChem CID 146009331) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
PubChem CID146009331
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)CCc1ccccc1
InChIInChI=1S/C17H15F3O2/c1-22-16-10-8-13(17(18,19)20)11-14(16)15(21)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyXHZKCTLMPYAARS-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxobutanoic acid
CID 82262810
3-chloro-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 82262815
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one
CID 146009309
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
3-bromo-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625236
(E)-3-[2-methoxy-5-(trifluoromethyl)phenyl]hex-2-enoic acid
CID 83949724
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 134109996
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one (CID 146009331) is 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one is COc1ccc(C(F)(F)F)cc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The InChIKey is XHZKCTLMPYAARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-22-16-10-8-13(17(18,19)20)11-14(16)15(21)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one has a molecular weight of 308.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 146009331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).